N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine

C29H33NO3 — CID 10718119

IUPACN,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(C2=C(c3ccc(OC)cc3)c3ccc(OC)cc3C2)cc1
InChIInChI=1S/C29H33NO3/c1-5-30(6-2)17-18-33-25-13-7-21(8-14-25)28-20-23-19-26(32-4)15-16-27(23)29(28)22-9-11-24(31-3)12-10-22/h7-16,19H,5-6,17-18,20H2,1-4H3
InChIKeyDIZHXTPYGXPZOW-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.94
Rot. Bonds10

About N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine

N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine (PubChem CID 10718119) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine
PubChem CID10718119
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC NameN,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(C2=C(c3ccc(OC)cc3)c3ccc(OC)cc3C2)cc1
InChIInChI=1S/C29H33NO3/c1-5-30(6-2)17-18-33-25-13-7-21(8-14-25)28-20-23-19-26(32-4)15-16-27(23)29(28)22-9-11-24(31-3)12-10-22/h7-16,19H,5-6,17-18,20H2,1-4H3
InChIKeyDIZHXTPYGXPZOW-UHFFFAOYSA-N
XLogP5.94
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenoxy]ethanamine
CID 14521100
4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]-N,N-bis(prop-2-enyl)aniline
CID 11611567
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
1-[2-[4-(5-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethyl]-2,2-dimethylpyrrolidine;hydrochloride
CID 24845439
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221
8-[2-(diethylamino)ethoxy]-10,10-dimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
CID 149226196
methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate
CID 20616859
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
CID 70967812
[4-[2-(diethylamino)ethoxy]phenyl]-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 15411886
7-(4-hydroxyphenyl)-8-[4-[2-[methyl(propyl)amino]ethoxy]phenyl]-5,6-dihydronaphthalen-2-ol
CID 155532894
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine (CID 10718119) is N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine is CCN(CC)CCOc1ccc(C2=C(c3ccc(OC)cc3)c3ccc(OC)cc3C2)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine?
The InChIKey is DIZHXTPYGXPZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO3/c1-5-30(6-2)17-18-33-25-13-7-21(8-14-25)28-20-23-19-26(32-4)15-16-27(23)29(28)22-9-11-24(31-3)12-10-22/h7-16,19H,5-6,17-18,20H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine?
N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine has a molecular weight of 443.59 g/mol, XLogP of 5.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[6-methoxy-3-(4-methoxyphenyl)-1H-inden-2-yl]phenoxy]ethanamine is sourced from PubChem (CID 10718119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).